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113705-27-4 | Naphthalene, 2,7-diethynyl-
CAS No: 113705-27-4 Catalog No: AG0009EC MDL No:
Product Description
Catalog Number:
AG0009EC
Chemical Name:
Naphthalene, 2,7-diethynyl-
CAS Number:
113705-27-4
Molecular Formula:
C14H8
Molecular Weight:
176.2133
IUPAC Name:
2,7-diethynylnaphthalene
InChI:
InChI=1S/C14H8/c1-3-11-5-7-13-8-6-12(4-2)10-14(13)9-11/h1-2,5-10H
InChI Key:
ZRUQOHRBNUQTSY-UHFFFAOYSA-N
SMILES:
C#Cc1ccc2c(c1)cc(cc2)C#C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.218g/mol
Monoisotopic Mass:
176.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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